Ethyl 3-Nitrophenylacetate - CAS 14318-64-0

Catalog:	BB009510
Product Name:	Ethyl 3-Nitrophenylacetate
CAS:	14318-64-0
Synonyms:	2-(3-nitrophenyl)acetic acid ethyl ester; ethyl 2-(3-nitrophenyl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(3-nitrophenyl)acetate
Description:	Ethyl 3-Nitrophenylacetate (CAS# 14318-64-0) is a useful research chemical.
Molecular Weight:	209.20
Molecular Formula:	C10H11NO4
Canonical SMILES:	CCOC(=O)CC1=CC(=CC=C1)[N+](=O)[O-]
InChI:	InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-4-3-5-9(6-8)11(13)14/h3-6H,2,7H2,1H3
InChI Key:	GVSTWFAYXHCBTH-UHFFFAOYSA-N
LogP:	2.22360

Publication Number	Title	Priority Date
EP-3381898-A1	Symmetrical tris-aryl-amide derivatives and their use as anti-heparanase	20170327
WO-2018177861-A1	Symmetrical tris-aryl-amide derivatives and their use as anti-heparanase	20170327
US-10364208-B2	Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis	20170105
US-2018186721-A1	Oxidative coupling of aryl boron reagents with sp3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis	20170105
US-10294246-B2	Substituted boronic acids and boronate esters as immunoproteasome inhibitors	20141001

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Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.06880783
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.06880783
Rotatable Bond Count:	4
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1